CID 57665

2-(p-methoxyphenyl)-2-methyl-1,3-dioxolane-4-methanol

Structural Information

Molecular Formula
C12H16O4
SMILES
CC1(OCC(O1)CO)C2=CC=C(C=C2)OC
InChI
InChI=1S/C12H16O4/c1-12(15-8-11(7-13)16-12)9-3-5-10(14-2)6-4-9/h3-6,11,13H,7-8H2,1-2H3
InChIKey
FDYCIYORWVHQEQ-UHFFFAOYSA-N
Compound name
[2-(4-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.10486 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 147.0
[M+Na]+ 247.09408 154.8
[M-H]- 223.09758 154.1
[M+NH4]+ 242.13868 165.9
[M+K]+ 263.06802 155.3
[M+H-H2O]+ 207.10212 142.1
[M+HCOO]- 269.10306 167.5
[M+CH3COO]- 283.11871 184.2
[M+Na-2H]- 245.07953 153.1
[M]+ 224.10431 149.7
[M]- 224.10541 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.